SCHEMBL377074

SCHEMBL377074

CC(C(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.57
EPHX1 P07099 8/20 0.55
PNMT P11086 1/20 0.53
CES2 O00748 2/20 0.53
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ACP3 P15309 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27483949 0.86 CES2 (0.55) AURKAEPHX1PNMTCES2AKR1C3
SCHEMBL1993610 0.85 AKR1C3 (0.66) PNMTCES2AKR1C3AKR1C2NPSR1
SCHEMBL1760202 0.85 AKR1C3 (0.66) PNMTCES2AKR1C3AKR1C2NPSR1
SCHEMBL6246702 0.84 PNMT (0.57) EPHX1PNMTCES2ACP3
SCHEMBL2510406 0.82 CES2 (0.45) AURKAEPHX1CES2AKR1C3AKR1C2
SCHEMBL2486728 0.82 CES2 (0.45) AURKAEPHX1CES2AKR1C3AKR1C2
SCHEMBL3143623 0.82 CES2 (0.45) AURKAEPHX1CES2AKR1C3AKR1C2
SCHEMBL8234510 0.81 PNMT (0.54) EPHX1PNMTCES2ACP3
SCHEMBL5527951 0.81 CES2 (0.67) EPHX1PNMTCES2ACP3
SCHEMBL27996637 0.81 PNMT (0.54) EPHX1PNMTCES2ACP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 US disclosed
CN-109153667-A Novel potassium channel inhibitor 阿塞西翁制药公司 2019-01-04 CN disclosed
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-12-27 US disclosed
US-8816119-B2 Arylamide derivatives having antiandrogenic properties MEDEIA THERAPEUTICS LTD (FI) 2014-08-26 US disclosed
US-20130109750-A1 NOVEL ARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES MEDEIA THERAPEUTICS LTD (FI) 2013-05-02 US disclosed
EP-2408754-A1 Triazole derivatives as vasopressin-receptor inhibitors for treating cardiac insufficiency Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2307017-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS Cytomics Systems (FR) 2011-04-13 EP disclosed
WO-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR3E, HTR1F AURKA 4592/4885EPHX1 529/4885PNMT 593/4885
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR3E, HTR1F AURKA 4592/4885EPHX1 529/4885PNMT 593/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 AURKA 1858/4885EPHX1 870/4885PNMT 1975/4885
US-20130109750-A1 NOVEL ARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES AR, NR5A1, CYP19A1 AURKA 1834/4885EPHX1 1377/4885PNMT 3514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.